8-Chrysoeriol, as a potential BCL-2 inhibitor triggers apoptosis of SW1990 pancreatic cancer cells
[Display omitted] •8-Chrysoeriol potentially targets to BCL-2.•It was screened by structure-based virtual ligand screening.•3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2.•Binding affinity were evaluated by microscale thermophoresis (MST) .•It showed high pro-apopt...
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| Veröffentlicht in: | Bioorganic chemistry 2018-04, Vol.77, p.478-484 |
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| container_title | Bioorganic chemistry |
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| creator | Zhang, Yiwen Li, Zhimei Min, Qiuxia Palida, Abulizi Zhang, Yiyuan Tang, Ruotian Chen, Lixia Li, Hua |
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•8-Chrysoeriol potentially targets to BCL-2.•It was screened by structure-based virtual ligand screening.•3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2.•Binding affinity were evaluated by microscale thermophoresis (MST) .•It showed high pro-apoptosis effect against SW1990 in vitro.
8-Chrysoeriol, a bioactive flavanoid, was firstly identified to bind directly to BCL-2 as BH3 mimetics by structure-based virtual ligand screening. And 3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2. The interaction between 8-Chrysoeriol and BCL-2 was further confirmed using Microscale Thermophoresis (MST) technique. Meanwhile, high expression level of antiapoptotic protein BCL-2 was detected in SW1990 pancreatic cancer cells and 8-Chrysoeriol showed obvious proapoptosis effect against SW1990 in vitro. Collectively, the results showed that 8-Chrysoeriol as a natural dietary product potentially targeting to BCL-2 could serve as a lead compound for SW1990 pancreatic cancer therapy. |
| doi_str_mv | 10.1016/j.bioorg.2018.01.042 |
| format | Article |
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•8-Chrysoeriol potentially targets to BCL-2.•It was screened by structure-based virtual ligand screening.•3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2.•Binding affinity were evaluated by microscale thermophoresis (MST) .•It showed high pro-apoptosis effect against SW1990 in vitro.
8-Chrysoeriol, a bioactive flavanoid, was firstly identified to bind directly to BCL-2 as BH3 mimetics by structure-based virtual ligand screening. And 3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2. The interaction between 8-Chrysoeriol and BCL-2 was further confirmed using Microscale Thermophoresis (MST) technique. Meanwhile, high expression level of antiapoptotic protein BCL-2 was detected in SW1990 pancreatic cancer cells and 8-Chrysoeriol showed obvious proapoptosis effect against SW1990 in vitro. Collectively, the results showed that 8-Chrysoeriol as a natural dietary product potentially targeting to BCL-2 could serve as a lead compound for SW1990 pancreatic cancer therapy.</description><identifier>ISSN: 0045-2068</identifier><identifier>EISSN: 1090-2120</identifier><identifier>DOI: 10.1016/j.bioorg.2018.01.042</identifier><identifier>PMID: 29454280</identifier><language>eng</language><publisher>United States: Elsevier Inc</publisher><subject>Antineoplastic Agents, Phytogenic - chemistry ; Antineoplastic Agents, Phytogenic - isolation & purification ; Antineoplastic Agents, Phytogenic - pharmacology ; Apoptosis - drug effects ; BCL-2 inhibitor ; BH3 mimetics ; Cell Survival - drug effects ; Dose-Response Relationship, Drug ; Drug Screening Assays, Antitumor ; Humans ; Ligands ; Molecular Docking Simulation ; Molecular Structure ; Pancreatic Neoplasms - drug therapy ; Pancreatic Neoplasms - metabolism ; Pancreatic Neoplasms - pathology ; Proto-Oncogene Proteins c-bcl-2 - antagonists & inhibitors ; Proto-Oncogene Proteins c-bcl-2 - metabolism ; Structure-Activity Relationship ; SW1990 pancreatic cancer ; Tumor Cells, Cultured</subject><ispartof>Bioorganic chemistry, 2018-04, Vol.77, p.478-484</ispartof><rights>2018 Elsevier Inc.</rights><rights>Copyright © 2018 Elsevier Inc. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c362t-b5d43fd4ce464bc3eb5a66c8f6c5854645f58aa76f11c7b798ff354b5755cd533</citedby><cites>FETCH-LOGICAL-c362t-b5d43fd4ce464bc3eb5a66c8f6c5854645f58aa76f11c7b798ff354b5755cd533</cites><orcidid>0000-0003-1903-836X</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.bioorg.2018.01.042$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/29454280$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Zhang, Yiwen</creatorcontrib><creatorcontrib>Li, Zhimei</creatorcontrib><creatorcontrib>Min, Qiuxia</creatorcontrib><creatorcontrib>Palida, Abulizi</creatorcontrib><creatorcontrib>Zhang, Yiyuan</creatorcontrib><creatorcontrib>Tang, Ruotian</creatorcontrib><creatorcontrib>Chen, Lixia</creatorcontrib><creatorcontrib>Li, Hua</creatorcontrib><title>8-Chrysoeriol, as a potential BCL-2 inhibitor triggers apoptosis of SW1990 pancreatic cancer cells</title><title>Bioorganic chemistry</title><addtitle>Bioorg Chem</addtitle><description>[Display omitted]
•8-Chrysoeriol potentially targets to BCL-2.•It was screened by structure-based virtual ligand screening.•3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2.•Binding affinity were evaluated by microscale thermophoresis (MST) .•It showed high pro-apoptosis effect against SW1990 in vitro.
8-Chrysoeriol, a bioactive flavanoid, was firstly identified to bind directly to BCL-2 as BH3 mimetics by structure-based virtual ligand screening. And 3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2. The interaction between 8-Chrysoeriol and BCL-2 was further confirmed using Microscale Thermophoresis (MST) technique. Meanwhile, high expression level of antiapoptotic protein BCL-2 was detected in SW1990 pancreatic cancer cells and 8-Chrysoeriol showed obvious proapoptosis effect against SW1990 in vitro. Collectively, the results showed that 8-Chrysoeriol as a natural dietary product potentially targeting to BCL-2 could serve as a lead compound for SW1990 pancreatic cancer therapy.</description><subject>Antineoplastic Agents, Phytogenic - chemistry</subject><subject>Antineoplastic Agents, Phytogenic - isolation & purification</subject><subject>Antineoplastic Agents, Phytogenic - pharmacology</subject><subject>Apoptosis - drug effects</subject><subject>BCL-2 inhibitor</subject><subject>BH3 mimetics</subject><subject>Cell Survival - drug effects</subject><subject>Dose-Response Relationship, Drug</subject><subject>Drug Screening Assays, Antitumor</subject><subject>Humans</subject><subject>Ligands</subject><subject>Molecular Docking Simulation</subject><subject>Molecular Structure</subject><subject>Pancreatic Neoplasms - drug therapy</subject><subject>Pancreatic Neoplasms - metabolism</subject><subject>Pancreatic Neoplasms - pathology</subject><subject>Proto-Oncogene Proteins c-bcl-2 - antagonists & inhibitors</subject><subject>Proto-Oncogene Proteins c-bcl-2 - metabolism</subject><subject>Structure-Activity Relationship</subject><subject>SW1990 pancreatic cancer</subject><subject>Tumor Cells, Cultured</subject><issn>0045-2068</issn><issn>1090-2120</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp9kEtrGzEQgEVpaZyk_6AEHXvobkZaSau9BBqTFxh6aEuOQtJKjsza2khyIf--Mk56zGmG4ZvXh9BXAi0BIi43rQkxpnVLgcgWSAuMfkALAgM0lFD4iBYAjDcUhDxBpzlvAAhhvfiMTujAOKMSFsjIZvmUXnJ0KcTpO9YZazzH4nYl6AlfL1cNxWH3FEwoMeGSwnrtUoXmOJeYQ8bR41-PZBgAz3pnk9MlWGxr6hK2bpryOfrk9ZTdl9d4hv7c3vxe3jern3cPyx-rxnaClsbwkXV-ZNYxwYztnOFaCCu9sFzyWuOeS6174QmxvekH6X3HmeE953bkXXeGvh3nzik-710uahvy4QK9c3GfFQXogIlesoqyI2pTzDk5r-YUtjq9KALqYFdt1NGuOthVQFS1W9suXjfszdaN_5vedFbg6gi4-uff4JLKNriqYgzJ2aLGGN7f8A867oxS</recordid><startdate>201804</startdate><enddate>201804</enddate><creator>Zhang, Yiwen</creator><creator>Li, Zhimei</creator><creator>Min, Qiuxia</creator><creator>Palida, Abulizi</creator><creator>Zhang, Yiyuan</creator><creator>Tang, Ruotian</creator><creator>Chen, Lixia</creator><creator>Li, Hua</creator><general>Elsevier Inc</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0003-1903-836X</orcidid></search><sort><creationdate>201804</creationdate><title>8-Chrysoeriol, as a potential BCL-2 inhibitor triggers apoptosis of SW1990 pancreatic cancer cells</title><author>Zhang, Yiwen ; Li, Zhimei ; Min, Qiuxia ; Palida, Abulizi ; Zhang, Yiyuan ; Tang, Ruotian ; Chen, Lixia ; Li, Hua</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c362t-b5d43fd4ce464bc3eb5a66c8f6c5854645f58aa76f11c7b798ff354b5755cd533</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Antineoplastic Agents, Phytogenic - chemistry</topic><topic>Antineoplastic Agents, Phytogenic - isolation & purification</topic><topic>Antineoplastic Agents, Phytogenic - pharmacology</topic><topic>Apoptosis - drug effects</topic><topic>BCL-2 inhibitor</topic><topic>BH3 mimetics</topic><topic>Cell Survival - drug effects</topic><topic>Dose-Response Relationship, Drug</topic><topic>Drug Screening Assays, Antitumor</topic><topic>Humans</topic><topic>Ligands</topic><topic>Molecular Docking Simulation</topic><topic>Molecular Structure</topic><topic>Pancreatic Neoplasms - drug therapy</topic><topic>Pancreatic Neoplasms - metabolism</topic><topic>Pancreatic Neoplasms - pathology</topic><topic>Proto-Oncogene Proteins c-bcl-2 - antagonists & inhibitors</topic><topic>Proto-Oncogene Proteins c-bcl-2 - metabolism</topic><topic>Structure-Activity Relationship</topic><topic>SW1990 pancreatic cancer</topic><topic>Tumor Cells, Cultured</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Yiwen</creatorcontrib><creatorcontrib>Li, Zhimei</creatorcontrib><creatorcontrib>Min, Qiuxia</creatorcontrib><creatorcontrib>Palida, Abulizi</creatorcontrib><creatorcontrib>Zhang, Yiyuan</creatorcontrib><creatorcontrib>Tang, Ruotian</creatorcontrib><creatorcontrib>Chen, Lixia</creatorcontrib><creatorcontrib>Li, Hua</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Bioorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhang, Yiwen</au><au>Li, Zhimei</au><au>Min, Qiuxia</au><au>Palida, Abulizi</au><au>Zhang, Yiyuan</au><au>Tang, Ruotian</au><au>Chen, Lixia</au><au>Li, Hua</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>8-Chrysoeriol, as a potential BCL-2 inhibitor triggers apoptosis of SW1990 pancreatic cancer cells</atitle><jtitle>Bioorganic chemistry</jtitle><addtitle>Bioorg Chem</addtitle><date>2018-04</date><risdate>2018</risdate><volume>77</volume><spage>478</spage><epage>484</epage><pages>478-484</pages><issn>0045-2068</issn><eissn>1090-2120</eissn><abstract>[Display omitted]
•8-Chrysoeriol potentially targets to BCL-2.•It was screened by structure-based virtual ligand screening.•3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2.•Binding affinity were evaluated by microscale thermophoresis (MST) .•It showed high pro-apoptosis effect against SW1990 in vitro.
8-Chrysoeriol, a bioactive flavanoid, was firstly identified to bind directly to BCL-2 as BH3 mimetics by structure-based virtual ligand screening. And 3D docking model revealed the molecular basis of 8-Chrysoeriol targeting to BCL-2. The interaction between 8-Chrysoeriol and BCL-2 was further confirmed using Microscale Thermophoresis (MST) technique. Meanwhile, high expression level of antiapoptotic protein BCL-2 was detected in SW1990 pancreatic cancer cells and 8-Chrysoeriol showed obvious proapoptosis effect against SW1990 in vitro. Collectively, the results showed that 8-Chrysoeriol as a natural dietary product potentially targeting to BCL-2 could serve as a lead compound for SW1990 pancreatic cancer therapy.</abstract><cop>United States</cop><pub>Elsevier Inc</pub><pmid>29454280</pmid><doi>10.1016/j.bioorg.2018.01.042</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0003-1903-836X</orcidid></addata></record> |
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| subjects | Antineoplastic Agents, Phytogenic - chemistry Antineoplastic Agents, Phytogenic - isolation & purification Antineoplastic Agents, Phytogenic - pharmacology Apoptosis - drug effects BCL-2 inhibitor BH3 mimetics Cell Survival - drug effects Dose-Response Relationship, Drug Drug Screening Assays, Antitumor Humans Ligands Molecular Docking Simulation Molecular Structure Pancreatic Neoplasms - drug therapy Pancreatic Neoplasms - metabolism Pancreatic Neoplasms - pathology Proto-Oncogene Proteins c-bcl-2 - antagonists & inhibitors Proto-Oncogene Proteins c-bcl-2 - metabolism Structure-Activity Relationship SW1990 pancreatic cancer Tumor Cells, Cultured |
| title | 8-Chrysoeriol, as a potential BCL-2 inhibitor triggers apoptosis of SW1990 pancreatic cancer cells |
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